(2-methoxy-1,3-thiazol-4-yl) formate

C5H5NO3S — CID 88857718

IUPAC(2-methoxy-1,3-thiazol-4-yl) formate
SMILESCOc1nc(OC=O)cs1
InChIInChI=1S/C5H5NO3S/c1-8-5-6-4(2-10-5)9-3-7/h2-3H,1H3
InChIKeyVQWDUEQWIXVAMI-UHFFFAOYSA-N
MW159.17 g/mol
LogP0.69
Rot. Bonds3

About (2-methoxy-1,3-thiazol-4-yl) formate

(2-methoxy-1,3-thiazol-4-yl) formate (PubChem CID 88857718) has the molecular formula C5H5NO3S and a molecular weight of 159.17 g/mol. Its IUPAC name is (2-methoxy-1,3-thiazol-4-yl) formate.

Molecular Properties

Compound Name(2-methoxy-1,3-thiazol-4-yl) formate
PubChem CID88857718
Molecular FormulaC5H5NO3S
Molecular Weight159.17 g/mol
Exact Mass159.00
IUPAC Name(2-methoxy-1,3-thiazol-4-yl) formate
SMILESCOc1nc(OC=O)cs1
InChIInChI=1S/C5H5NO3S/c1-8-5-6-4(2-10-5)9-3-7/h2-3H,1H3
InChIKeyVQWDUEQWIXVAMI-UHFFFAOYSA-N
XLogP0.69
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.17
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-1,3-thiazol-4-yl) formate?
The IUPAC name of (2-methoxy-1,3-thiazol-4-yl) formate (CID 88857718) is (2-methoxy-1,3-thiazol-4-yl) formate.
What is the SMILES notation for (2-methoxy-1,3-thiazol-4-yl) formate?
The canonical SMILES for (2-methoxy-1,3-thiazol-4-yl) formate is COc1nc(OC=O)cs1.
What is the InChIKey of (2-methoxy-1,3-thiazol-4-yl) formate?
The InChIKey is VQWDUEQWIXVAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3S/c1-8-5-6-4(2-10-5)9-3-7/h2-3H,1H3.
What are the key properties of (2-methoxy-1,3-thiazol-4-yl) formate?
(2-methoxy-1,3-thiazol-4-yl) formate has a molecular weight of 159.17 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-1,3-thiazol-4-yl) formate is sourced from PubChem (CID 88857718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).